2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide

C18H19F3N2O4S — CID 122627284

IUPAC2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(O)C(F)(F)F)cn2)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-3-28(26,27)14-7-4-12(5-8-14)10-16(24)23-15-9-6-13(11-22-15)17(2,25)18(19,20)21/h4-9,11,25H,3,10H2,1-2H3,(H,22,23,24)
InChIKeyJDLHHTVINHALPZ-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide (PubChem CID 122627284) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide
PubChem CID122627284
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(O)C(F)(F)F)cn2)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-3-28(26,27)14-7-4-12(5-8-14)10-16(24)23-15-9-6-13(11-22-15)17(2,25)18(19,20)21/h4-9,11,25H,3,10H2,1-2H3,(H,22,23,24)
InChIKeyJDLHHTVINHALPZ-UHFFFAOYSA-N
XLogP2.83
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide (CID 122627284) is 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(O)C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide?
The InChIKey is JDLHHTVINHALPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-3-28(26,27)14-7-4-12(5-8-14)10-16(24)23-15-9-6-13(11-22-15)17(2,25)18(19,20)21/h4-9,11,25H,3,10H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 416.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 122627284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).